3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine

C202H138N8O6 — CID 163744658

IUPAC3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58/h5-44H,1-4H3;1-38H;5-40H,1-4H3
InChIKeyLKUAZSBULOTJTE-UHFFFAOYSA-N
MW2773.38 g/mol
LogP59.18
Rot. Bonds26

About 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine

3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 163744658) has the molecular formula C202H138N8O6 and a molecular weight of 2773.38 g/mol. Its IUPAC name is 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID163744658
Molecular FormulaC202H138N8O6
Molecular Weight2773.38 g/mol
Exact Mass2771.07
IUPAC Name3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58/h5-44H,1-4H3;1-38H;5-40H,1-4H3
InChIKeyLKUAZSBULOTJTE-UHFFFAOYSA-N
XLogP59.18
TPSA145.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.38
LogP ≤ 559.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 164963096
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyano-2-phenylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]-3-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159901284
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-4,9-di(propan-2-yl)pyrene-1,6-diamine
CID 164977006
4-[[6-[4-cyano-N-dibenzofuran-4-yl-2-(4-triphenylsilylphenyl)anilino]-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]-3-(4-triphenylsilylphenyl)benzonitrile
CID 155620029
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-diphenylpyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 166788491
6,8-bis(N-dibenzofuran-4-ylanilino)pyrene-2-carbonitrile
CID 122579016
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-[3-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]pyrene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;1-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 162144769
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 163744658) is 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine is CC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is LKUAZSBULOTJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58/h5-44H,1-4H3;1-38H;5-40H,1-4H3.
What are the key properties of 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 2773.38 g/mol, XLogP of 59.18, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 163744658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).